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A1IGQ

A1IGQ
Name:	(4R)-4-phenyl-1,2-thiazolidine 1,1-dioxide
Formula:	C9 H11 N O2 S
SMILES:	O=[S]1(=O)C[CH](CN1)c2ccccc2
InChi:	InChI=1S/C9H11NO2S/c11-13(12)7-9(6-10-13)8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-/m0/s1
Definition date:	2024-07-01
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	(4~{R})-4-phenyl-1,2-thiazolidine 1,1-dioxide

A1IGR

A1IGR
Name:	1H-indole-3-carboxamide
Formula:	C9 H8 N2 O
SMILES:	NC(=O)c1c[nH]c2ccccc12
InChi:	InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12)
Definition date:	2024-07-01
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	1~{H}-indole-3-carboxamide

A1IGY

A1IGY
Name:	(Z)-7-(4-chlorobenzyl)-1-(3-hydroxypropyl)-3-methyl-8-(4-(phenyldiazenyl)-3-(trifluoromethoxy)phenoxy)-3,7-dihydro-1H-purine-2,6-dione
Formula:	C29 H24 Cl F3 N6 O5
SMILES:	CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4ccc(N=Nc5ccccc5)c(OC(F)(F)F)c4)nc12
InChi:	InChI=1S/C29H24ClF3N6O5/c1-37-25-24(26(41)38(28(37)42)14-5-15-40)39(17-18-8-10-19(30)11-9-18)27(34-25)43-21-12-13-22(23(16-21)44-29(31,32)33)36-35-20-6-3-2-4-7-20/h2-4,6-13,16,40H,5,14-15,17H2,1H3/b36-35-
Synonyms:	7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[4-[(~{Z})-phenyldiazenyl]-3-(trifluoromethyloxy)phenoxy]purine-2,6-dione
Definition date:	2024-07-02
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-[4-[(~{Z})-phenyldiazenyl]-3-(trifluoromethyloxy)phenoxy]purine-2,6-dione

A1JCK

A1JCK
Name:	~{N}-naphthalen-2-yl-2-sulfanyl-ethanamide
Formula:	C12 H11 N O S
SMILES:	SCC(=O)Nc1ccc2ccccc2c1
InChi:	InChI=1S/C12H11NOS/c14-12(8-15)13-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,15H,8H2,(H,13,14)
Synonyms:	SGMHGVVTMOGJMX-UHFFFAOYSA-N
Definition date:	2025-05-07
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	~{N}-naphthalen-2-yl-2-sulfanyl-ethanamide

A1JF8

A1JF8
Name:	~{N}-(5-cyclopentyl-1~{H}-pyrazol-3-yl)-4-fluoranyl-2-nitro-benzamide
Formula:	C15 H15 F N4 O3
SMILES:	[O-][N+](=O)c1cc(F)ccc1C(=O)Nc2cc([nH]n2)C3CCCC3
InChi:	InChI=1S/C15H15FN4O3/c16-10-5-6-11(13(7-10)20(22)23)15(21)17-14-8-12(18-19-14)9-3-1-2-4-9/h5-9H,1-4H2,(H2,17,18,19,21)
Definition date:	2025-06-10
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	~{N}-(5-cyclopentyl-1~{H}-pyrazol-3-yl)-4-fluoranyl-2-nitro-benzamide

A1JGB

A1JGB
Name:	~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-2-pyridin-3-yl-~{N}-(thiophen-2-ylmethyl)ethanamide
Formula:	C21 H20 N2 O S
SMILES:	O=C(Cc1cccnc1)N(Cc2sccc2)C3Cc4ccccc4C3
InChi:	InChI=1S/C21H20N2OS/c24-21(11-16-5-3-9-22-14-16)23(15-20-8-4-10-25-20)19-12-17-6-1-2-7-18(17)13-19/h1-10,14,19H,11-13,15H2
Definition date:	2025-06-11
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-2-pyridin-3-yl-~{N}-(thiophen-2-ylmethyl)ethanamide

A1JGE

A1JGE
Name:	2-pyridin-3-ylquinazoline
Formula:	C13 H9 N3
SMILES:	c1ccc2nc(ncc2c1)c3cccnc3
InChi:	InChI=1S/C13H9N3/c1-2-6-12-10(4-1)9-15-13(16-12)11-5-3-7-14-8-11/h1-9H
Definition date:	2025-06-11
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	2-pyridin-3-ylquinazoline

A1JGF

A1JGF
Name:	[1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazol-3-yl]methanamine
Formula:	C18 H17 Cl N6
SMILES:	NCc1ncn(Cc2nc3cc(Cl)ccc3n2Cc4ccccc4)n1
InChi:	InChI=1S/C18H17ClN6/c19-14-6-7-16-15(8-14)22-18(11-24-12-21-17(9-20)23-24)25(16)10-13-4-2-1-3-5-13/h1-8,12H,9-11,20H2
Definition date:	2025-06-11
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	[1-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]-1,2,4-triazol-3-yl]methanamine

A1JGO

A1JGO
Name:	1-(benzimidazol-1-yl)-3-[(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-thiochromen-4-yl]urea
Formula:	C17 H15 F N4 O S
SMILES:	Fc1ccc2SCC[CH](NC(=O)Nn3cnc4ccccc34)c2c1
InChi:	InChI=1S/C17H15FN4OS/c18-11-5-6-16-12(9-11)13(7-8-24-16)20-17(23)21-22-10-19-14-3-1-2-4-15(14)22/h1-6,9-10,13H,7-8H2,(H2,20,21,23)/t13-/m0/s1
Definition date:	2025-06-12
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	1-(benzimidazol-1-yl)-3-[(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-thiochromen-4-yl]urea

A1JGR

A1JGR
Name:	1-(2-cyclohexylethyl)-3-cyclopropyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
Formula:	C17 H27 N3 O2
SMILES:	Cc1onc(CN(CCC2CCCCC2)C(=O)NC3CC3)c1
InChi:	InChI=1S/C17H27N3O2/c1-13-11-16(19-22-13)12-20(17(21)18-15-7-8-15)10-9-14-5-3-2-4-6-14/h11,14-15H,2-10,12H2,1H3,(H,18,21)
Definition date:	2025-06-12
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	1-(2-cyclohexylethyl)-3-cyclopropyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

A1JGU

A1JGU
Name:	3-(5-bromanylpyridin-3-yl)-1-[(1~{R})-1-phenylethyl]imidazolidine-2,4-dione
Formula:	C16 H14 Br N3 O2
SMILES:	C[CH](N1CC(=O)N(C1=O)c2cncc(Br)c2)c3ccccc3
InChi:	InChI=1S/C16H14BrN3O2/c1-11(12-5-3-2-4-6-12)19-10-15(21)20(16(19)22)14-7-13(17)8-18-9-14/h2-9,11H,10H2,1H3/t11-/m1/s1
Definition date:	2025-06-12
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	3-(5-bromanylpyridin-3-yl)-1-[(1~{R})-1-phenylethyl]imidazolidine-2,4-dione

A1JGV

A1JGV
Name:	1-[[3,4-bis(fluoranyl)phenyl]methyl]-3-(5-bromanylpyridin-3-yl)imidazolidine-2,4-dione
Formula:	C15 H10 Br F2 N3 O2
SMILES:	Fc1ccc(CN2CC(=O)N(C2=O)c3cncc(Br)c3)cc1F
InChi:	InChI=1S/C15H10BrF2N3O2/c16-10-4-11(6-19-5-10)21-14(22)8-20(15(21)23)7-9-1-2-12(17)13(18)3-9/h1-6H,7-8H2
Definition date:	2025-06-12
Last modified:	2025-07-04
Release date:	2025-07-09
Identifier:	1-[[3,4-bis(fluoranyl)phenyl]methyl]-3-(5-bromanylpyridin-3-yl)imidazolidine-2,4-dione

02X

02X
Name:	(2S)-2-(propan-2-yl)butanedioic acid
Formula:	C7 H12 O4
SMILES:	O=C(O)C(CC(=O)O)C(C)C
InChi:	InChI=1S/C7H12O4/c1-4(2)5(7(10)11)3-6(8)9/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-/m0/s1
Synonyms:	2-Isopropylmaleic acid
Definition date:	2011-07-12
Last modified:	2025-06-30
Identifier:	(2S)-2-(propan-2-yl)butanedioic acid

XMW

XMW
Name:	N-[(4M)-4-(pyridin-2-yl)-1,3-thiazol-2-yl]-2H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
Formula:	C16 H10 N4 O2 S2
SMILES:	s1c2cc3OCOc3cc2nc1Nc1nc(cs1)c1ccccn1
InChi:	InChI=1S/C16H10N4O2S2/c1-2-4-17-9(3-1)11-7-23-15(19-11)20-16-18-10-5-12-13(22-8-21-12)6-14(10)24-16/h1-7H,8H2,(H,18,19,20)
Definition date:	2023-11-03
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	N-[(4M)-4-(pyridin-2-yl)-1,3-thiazol-2-yl]-2H-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine

A1BVU

A1BVU
Name:	N-[3-(difluoromethyl)phenyl]-5-[{[(1s,4s)-4-hydroxycyclohexyl]amino}(oxo)acetyl]-1,2,4-trimethyl-1H-pyrrole-3-carboxamide
Formula:	C23 H27 F2 N3 O4
SMILES:	Cc1c(c(C)n(C)c1C(=O)C(=O)NC1CCC(O)CC1)C(=O)Nc1cc(ccc1)C(F)F
InChi:	InChI=1S/C23H27F2N3O4/c1-12-18(22(31)27-16-6-4-5-14(11-16)21(24)25)13(2)28(3)19(12)20(30)23(32)26-15-7-9-17(29)10-8-15/h4-6,11,15,17,21,29H,7-10H2,1-3H3,(H,26,32)(H,27,31)/t15-,17+
Definition date:	2025-02-03
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	N-[3-(difluoromethyl)phenyl]-5-[{[(1s,4s)-4-hydroxycyclohexyl]amino}(oxo)acetyl]-1,2,4-trimethyl-1H-pyrrole-3-carboxamide

A1ECU

A1ECU
Name:	2,2-bis(chloranyl)-~{N}-[5-[[5-chloranyl-4-[(2-dimethylphosphorylphenyl)amino]pyrimidin-2-yl]amino]-4-methoxy-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]ethanamide
Formula:	C31 H40 Cl3 N8 O3 P
SMILES:	COc1cc(N2CCC(CC2)N3CCN(C)CC3)c(NC(=O)C(Cl)Cl)cc1Nc4ncc(Cl)c(Nc5ccccc5[P](C)(C)=O)n4
InChi:	InChI=1S/C31H40Cl3N8O3P/c1-40-13-15-41(16-14-40)20-9-11-42(12-10-20)25-18-26(45-2)24(17-23(25)37-30(43)28(33)34)38-31-35-19-21(32)29(39-31)36-22-7-5-6-8-27(22)46(3,4)44/h5-8,17-20,28H,9-16H2,1-4H3,(H,37,43)(H2,35,36,38,39)
Definition date:	2024-10-01
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	2,2-bis(chloranyl)-~{N}-[5-[[5-chloranyl-4-[(2-dimethylphosphorylphenyl)amino]pyrimidin-2-yl]amino]-4-methoxy-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]ethanamide

A1EMV

A1EMV
Name:	Silodosin
Formula:	C25 H32 F3 N3 O4
SMILES:	C[CH](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc3ccccc3OCC(F)(F)F
InChi:	InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
Definition date:	2025-03-07
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	1-(3-oxidanylpropyl)-5-[(2~{R})-2-[2-[2-[2,2,2-tris(fluoranyl)ethoxy]phenoxy]ethylamino]propyl]-2,3-dihydroindole-7-carboxamide

A1EQV

A1EQV
Name:	Macimorelin
Formula:	C26 H30 N6 O3
SMILES:	CC(C)(N)C(=O)N[CH](Cc1c[nH]c2ccccc12)C(=O)N[CH](Cc3c[nH]c4ccccc34)NC=O
InChi:	InChI=1S/C26H30N6O3/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-,23-/m1/s1
Synonyms:	2-azanyl-N-[(2R)-1-[[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide
Definition date:	2025-05-25
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	2-azanyl-~{N}-[(2~{R})-1-[[(1~{R})-1-formamido-2-(1~{H}-indol-3-yl)ethyl]amino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide

A1ESD

A1ESD
Name:	2-azanyl-N-[(2R)-1-[(3S)-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide
Formula:	C31 H42 N6 O3
SMILES:	CN(C)N(C)C(=O)[C]1(CCCN(C1)C(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)Cc4ccccc4
InChi:	InChI=1S/C31H42N6O3/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22/h6-10,12-15,20,26,33H,11,16-19,21,32H2,1-5H3,(H,34,39)/t26-,31+/m1/s1
Definition date:	2025-06-24
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	2-azanyl-~{N}-[(2~{R})-1-[(3~{S})-3-[dimethylamino(methyl)carbamoyl]-3-(phenylmethyl)piperidin-1-yl]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-2-methyl-propanamide

A1BZE

A1BZE
Name:	[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl][(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone
Formula:	C18 H15 F3 N4 O3
SMILES:	FC(F)(F)c1cc(c2cnco2)c2ncc(C(=O)N3C4CCC3COC4)n2c1
InChi:	InChI=1S/C18H15F3N4O3/c19-18(20,21)10-3-13(15-5-22-9-28-15)16-23-4-14(24(16)6-10)17(26)25-11-1-2-12(25)8-27-7-11/h3-6,9,11-12H,1-2,7-8H2/t11-,12+
Definition date:	2025-03-06
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl][(4R,8M)-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanone

A1EAE

A1EAE
Name:	2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid
Formula:	C20 H19 N3 O6
SMILES:	COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3cccc(CN)c3)cc12
InChi:	InChI=1S/C20H19N3O6/c1-28-20-15-8-13(29-12-4-2-3-11(7-12)9-21)5-6-14(15)18(26)17(23-20)19(27)22-10-16(24)25/h2-8,26H,9-10,21H2,1H3,(H,22,27)(H,24,25)
Definition date:	2024-08-07
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	2-[[7-[3-(aminomethyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

A1IFF

A1IFF
Name:	(R)-amino-3-hydroxybutanoic acid
Formula:	C4 H9 N O3
SMILES:	NC[CH](O)CC(O)=O
InChi:	InChI=1S/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
Synonyms:	(R)-GABOB
Definition date:	2024-06-21
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	(3~{R})-4-azanyl-3-oxidanyl-butanoic acid

A1IFT

A1IFT
Name:	Hydrogenobyrinic acid a,c-diamide
Formula:	C45 H62 N6 O12
SMILES:	CC1=C2NC(=CC3=NC(=C(C)C4=N[CH]([CH](CC(O)=O)[C]4(C)CCC(O)=O)[C]5(C)N=C1[CH](CCC(O)=O)[C]5(C)CC(N)=O)[CH](CCC(O)=O)C3(C)C)[CH](CCC(O)=O)[C]2(C)CC(N)=O
InChi:	InChI=1S/C45H62N6O12/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61/h18,23-26,40,48H,9-17,19-20H2,1-8H3,(H2,46,52)(H2,47,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b27-18-,36-21-,39-22-/t23-,24-,25-,26+,40-,42-,43+,44+,45+/m1/s1
Synonyms:	3-[(1~{R},2~{S},3~{S},5~{Z},7~{S},8~{S},9~{Z},13~{S},14~{Z},17~{R},18~{R},19~{R})-2,7-bis(2-azanyl-2-oxidanylidene-ethyl)-18-(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanoic acid
Definition date:	2024-06-26
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	3-[(1~{R},2~{S},3~{S},5~{Z},7~{S},8~{S},9~{Z},13~{S},14~{Z},17~{R},18~{R},19~{R})-2,7-bis(2-azanyl-2-oxidanylidene-ethyl)-18-(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,5,7,12,12,15,17-octamethyl-3,8,13,18,19,22-hexahydrocorrin-8-yl]propanoic acid

A1IFY

A1IFY
Name:	[(2~{R})-4-methyl-1-oxidanylidene-1-[[2-(4-propan-2-yloxyphenyl)pyrimidin-5-yl]amino]pentan-2-yl]phosphonic acid
Formula:	C19 H26 N3 O5 P
SMILES:	CC(C)C[CH](C(=O)Nc1cnc(nc1)c2ccc(OC(C)C)cc2)[P](O)(O)=O
InChi:	InChI=1S/C19H26N3O5P/c1-12(2)9-17(28(24,25)26)19(23)22-15-10-20-18(21-11-15)14-5-7-16(8-6-14)27-13(3)4/h5-8,10-13,17H,9H2,1-4H3,(H,22,23)(H2,24,25,26)/t17-/m1/s1
Definition date:	2024-06-26
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(2~{R})-4-methyl-1-oxidanylidene-1-[[2-(4-propan-2-yloxyphenyl)pyrimidin-5-yl]amino]pentan-2-yl]phosphonic acid

A1IFZ

A1IFZ
Name:	[(2~{R})-1-[[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid
Formula:	C18 H21 Cl2 N2 O6 P S
SMILES:	CC(C)C[CH](C(=O)Nc1ccc(N[S](=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)[P](O)(O)=O
InChi:	InChI=1S/C18H21Cl2N2O6PS/c1-11(2)9-17(29(24,25)26)18(23)21-12-3-5-13(6-4-12)22-30(27,28)14-7-8-15(19)16(20)10-14/h3-8,10-11,17,22H,9H2,1-2H3,(H,21,23)(H2,24,25,26)/t17-/m1/s1
Definition date:	2024-06-26
Last modified:	2025-06-27
Release date:	2025-07-02
Identifier:	[(2~{R})-1-[[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid

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246031

數據於2025-12-10公開中

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